Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 3/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16147399 | 0.90 | TAAR1 (0.48) | GRIK1NOS1POLBKMT2ATDP1 | |
| SCHEMBL16147401 | 0.90 | TAAR1 (0.48) | GRIK1NOS1POLBKMT2ATDP1 | |
| SCHEMBL10458548 | 0.81 | MAPT (0.45) | POLBKMT2ATDP1KIF11PKM | |
| SCHEMBL8713115 | 0.81 | LTB4R (0.48) | TAAR1GPR52 | |
| SCHEMBL428267 | 0.81 | SLC1A5 (0.51) | GRIK1NOS1POLBKMT2ATDP1 | |
| SCHEMBL5324553 | 0.81 | SLC1A5 (0.51) | GRIK1NOS1POLBKMT2ATDP1 | |
| SCHEMBL429892 | 0.81 | SLC6A2 (0.51) | GRIK1NOS1POLBKMT2ATDP1 | |
| SCHEMBL14381171 | 0.81 | SLC1A5 (0.51) | GRIK1NOS1POLBKMT2ATDP1 | |
| SCHEMBL43301 | 0.80 | SLC7A5 (0.58) | NOS1POLBKMT2ATDP1ALPI | |
| SCHEMBL1250588 | 0.80 | SLC7A5 (0.58) | NOS1POLBKMT2ATDP1ALPI |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3203840-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057572-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | MILLER MARK THOMAS (US) | 2016-04-14 | — | — | WO | disclosed |